methyl 3-hydroxyhexanoate

C7H14O3 — CID 519845

IUPACmethyl 3-hydroxyhexanoate
SMILESCCCC(O)CC(=O)OC
InChIInChI=1S/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3
InChIKeyACCRBMDJCPPJDX-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.71
Rot. Bonds4

About methyl 3-hydroxyhexanoate

methyl 3-hydroxyhexanoate (PubChem CID 519845) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is methyl 3-hydroxyhexanoate.

Molecular Properties

Compound Namemethyl 3-hydroxyhexanoate
PubChem CID519845
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Namemethyl 3-hydroxyhexanoate
SMILESCCCC(O)CC(=O)OC
InChIInChI=1S/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3
InChIKeyACCRBMDJCPPJDX-UHFFFAOYSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxyhexanoate?
The IUPAC name of methyl 3-hydroxyhexanoate (CID 519845) is methyl 3-hydroxyhexanoate.
What is the SMILES notation for methyl 3-hydroxyhexanoate?
The canonical SMILES for methyl 3-hydroxyhexanoate is CCCC(O)CC(=O)OC.
What is the InChIKey of methyl 3-hydroxyhexanoate?
The InChIKey is ACCRBMDJCPPJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3.
What are the key properties of methyl 3-hydroxyhexanoate?
methyl 3-hydroxyhexanoate has a molecular weight of 146.19 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxyhexanoate is sourced from PubChem (CID 519845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).